USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 348 MET CE :methyl -173:sc= -0.252 (180deg=-0.406) USER MOD Set 1.2: C 361 HIS : no HD1:sc= -4.92! X(o=-5.2!,f=-4.9) USER MOD Single : C 330 THR OG1 : rot 140:sc= -0.414 USER MOD Single : C 337 ASN : amide:sc= -0.0795 K(o=-0.08,f=-1.3!) USER MOD Single : C 338 ASN : amide:sc= -1.94 K(o=-1.9,f=-5.8!) USER MOD Single : C 347 SER OG : rot 180:sc= -0.426 USER MOD Single : C 349 GLN : amide:sc= -2.76 K(o=-2.8,f=-2.2) USER MOD Single : C 353 LYS NZ :NH3+ -161:sc= -0.03 (180deg=-0.399) USER MOD Single : C 358 HIS : no HD1:sc= -2.23! K(o=-2.2!,f=-1.4) USER MOD Single : C 362 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : C 363 SER OG : rot 180:sc= 0 USER MOD Single : C 367 SER OG : rot -30:sc= 0.543 USER MOD Single : C 371 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 373 THR OG1 : rot 62:sc= 0.126 USER MOD Single : C 374 SER OG : rot -113:sc= 0.292 USER MOD Single : C 377 THR OG1 : rot 180:sc= 0 USER MOD Single : C 380 MET CE :methyl 141:sc= -0.132 (180deg=-1.24) USER MOD Single : C 381 SER OG : rot 180:sc= 0 USER MOD Single : C 383 ASN : amide:sc= -0.0754 K(o=-0.075,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA C 327 16.004 0.923 -16.742 1.00 0.00 N ATOM 2 CA ALA C 327 17.342 0.353 -17.066 1.00 0.00 C ATOM 3 C ALA C 327 17.583 -0.878 -16.205 1.00 0.00 C ATOM 4 O ALA C 327 18.255 -0.805 -15.178 1.00 0.00 O ATOM 5 CB ALA C 327 18.422 1.399 -16.785 1.00 0.00 C ATOM 0 HA ALA C 327 17.378 0.073 -18.119 1.00 0.00 H new ATOM 0 HB1 ALA C 327 19.401 0.983 -17.022 1.00 0.00 H new ATOM 0 HB2 ALA C 327 18.244 2.281 -17.401 1.00 0.00 H new ATOM 0 HB3 ALA C 327 18.392 1.680 -15.732 1.00 0.00 H new ATOM 11 N VAL C 328 17.034 -2.015 -16.631 1.00 0.00 N ATOM 12 CA VAL C 328 17.195 -3.261 -15.887 1.00 0.00 C ATOM 13 C VAL C 328 18.220 -4.153 -16.575 1.00 0.00 C ATOM 14 O VAL C 328 18.041 -4.551 -17.727 1.00 0.00 O ATOM 15 CB VAL C 328 15.852 -3.994 -15.817 1.00 0.00 C ATOM 16 CG1 VAL C 328 15.971 -5.178 -14.859 1.00 0.00 C ATOM 17 CG2 VAL C 328 14.764 -3.038 -15.316 1.00 0.00 C ATOM 0 H VAL C 328 16.478 -2.098 -17.482 1.00 0.00 H new ATOM 0 HA VAL C 328 17.541 -3.029 -14.880 1.00 0.00 H new ATOM 0 HB VAL C 328 15.584 -4.352 -16.811 1.00 0.00 H new ATOM 0 HG11 VAL C 328 15.016 -5.702 -14.807 1.00 0.00 H new ATOM 0 HG12 VAL C 328 16.740 -5.861 -15.219 1.00 0.00 H new ATOM 0 HG13 VAL C 328 16.241 -4.817 -13.867 1.00 0.00 H new ATOM 0 HG21 VAL C 328 13.811 -3.565 -15.268 1.00 0.00 H new ATOM 0 HG22 VAL C 328 15.028 -2.675 -14.323 1.00 0.00 H new ATOM 0 HG23 VAL C 328 14.678 -2.194 -16.000 1.00 0.00 H new ATOM 27 N ALA C 329 19.304 -4.457 -15.862 1.00 0.00 N ATOM 28 CA ALA C 329 20.370 -5.299 -16.403 1.00 0.00 C ATOM 29 C ALA C 329 20.195 -6.743 -15.951 1.00 0.00 C ATOM 30 O ALA C 329 20.783 -7.656 -16.531 1.00 0.00 O ATOM 31 CB ALA C 329 21.725 -4.783 -15.920 1.00 0.00 C ATOM 0 H ALA C 329 19.467 -4.133 -14.909 1.00 0.00 H new ATOM 0 HA ALA C 329 20.323 -5.261 -17.491 1.00 0.00 H new ATOM 0 HB1 ALA C 329 22.519 -5.411 -16.324 1.00 0.00 H new ATOM 0 HB2 ALA C 329 21.866 -3.757 -16.260 1.00 0.00 H new ATOM 0 HB3 ALA C 329 21.758 -4.812 -14.831 1.00 0.00 H new ATOM 37 N THR C 330 19.392 -6.946 -14.910 1.00 0.00 N ATOM 38 CA THR C 330 19.157 -8.291 -14.389 1.00 0.00 C ATOM 39 C THR C 330 18.037 -8.983 -15.172 1.00 0.00 C ATOM 40 O THR C 330 17.128 -8.319 -15.674 1.00 0.00 O ATOM 41 CB THR C 330 18.782 -8.228 -12.897 1.00 0.00 C ATOM 42 OG1 THR C 330 17.997 -9.362 -12.561 1.00 0.00 O ATOM 43 CG2 THR C 330 17.980 -6.959 -12.606 1.00 0.00 C ATOM 0 H THR C 330 18.897 -6.205 -14.414 1.00 0.00 H new ATOM 0 HA THR C 330 20.076 -8.866 -14.503 1.00 0.00 H new ATOM 0 HB THR C 330 19.696 -8.217 -12.303 1.00 0.00 H new ATOM 0 HG1 THR C 330 18.265 -9.696 -11.680 1.00 0.00 H new ATOM 0 HG21 THR C 330 17.721 -6.927 -11.548 1.00 0.00 H new ATOM 0 HG22 THR C 330 18.578 -6.084 -12.860 1.00 0.00 H new ATOM 0 HG23 THR C 330 17.068 -6.960 -13.203 1.00 0.00 H new ATOM 51 N PRO C 331 18.077 -10.292 -15.289 1.00 0.00 N ATOM 52 CA PRO C 331 17.033 -11.070 -16.030 1.00 0.00 C ATOM 53 C PRO C 331 15.698 -11.114 -15.288 1.00 0.00 C ATOM 54 O PRO C 331 15.642 -10.927 -14.071 1.00 0.00 O ATOM 55 CB PRO C 331 17.649 -12.472 -16.139 1.00 0.00 C ATOM 56 CG PRO C 331 18.508 -12.585 -14.926 1.00 0.00 C ATOM 57 CD PRO C 331 19.113 -11.188 -14.734 1.00 0.00 C ATOM 0 HA PRO C 331 16.795 -10.622 -16.995 1.00 0.00 H new ATOM 0 HB2 PRO C 331 16.881 -13.245 -16.157 1.00 0.00 H new ATOM 0 HB3 PRO C 331 18.233 -12.581 -17.053 1.00 0.00 H new ATOM 0 HG2 PRO C 331 17.924 -12.885 -14.056 1.00 0.00 H new ATOM 0 HG3 PRO C 331 19.286 -13.336 -15.062 1.00 0.00 H new ATOM 0 HD2 PRO C 331 19.309 -10.975 -13.683 1.00 0.00 H new ATOM 0 HD3 PRO C 331 20.061 -11.084 -15.262 1.00 0.00 H new ATOM 65 N GLU C 332 14.631 -11.377 -16.032 1.00 0.00 N ATOM 66 CA GLU C 332 13.304 -11.461 -15.439 1.00 0.00 C ATOM 67 C GLU C 332 13.278 -12.550 -14.376 1.00 0.00 C ATOM 68 O GLU C 332 12.404 -12.570 -13.508 1.00 0.00 O ATOM 69 CB GLU C 332 12.268 -11.765 -16.524 1.00 0.00 C ATOM 70 CG GLU C 332 12.619 -13.084 -17.213 1.00 0.00 C ATOM 71 CD GLU C 332 11.637 -13.359 -18.346 1.00 0.00 C ATOM 72 OE1 GLU C 332 10.486 -12.975 -18.214 1.00 0.00 O ATOM 73 OE2 GLU C 332 12.051 -13.943 -19.333 1.00 0.00 O ATOM 0 H GLU C 332 14.658 -11.535 -17.039 1.00 0.00 H new ATOM 0 HA GLU C 332 13.061 -10.506 -14.973 1.00 0.00 H new ATOM 0 HB2 GLU C 332 11.273 -11.827 -16.084 1.00 0.00 H new ATOM 0 HB3 GLU C 332 12.244 -10.957 -17.255 1.00 0.00 H new ATOM 0 HG2 GLU C 332 13.635 -13.040 -17.605 1.00 0.00 H new ATOM 0 HG3 GLU C 332 12.591 -13.900 -16.491 1.00 0.00 H new ATOM 80 N GLU C 333 14.252 -13.454 -14.446 1.00 0.00 N ATOM 81 CA GLU C 333 14.348 -14.543 -13.484 1.00 0.00 C ATOM 82 C GLU C 333 14.354 -13.996 -12.065 1.00 0.00 C ATOM 83 O GLU C 333 13.673 -14.521 -11.186 1.00 0.00 O ATOM 84 CB GLU C 333 15.637 -15.336 -13.743 1.00 0.00 C ATOM 85 CG GLU C 333 15.463 -16.201 -14.990 1.00 0.00 C ATOM 86 CD GLU C 333 16.749 -16.972 -15.271 1.00 0.00 C ATOM 87 OE1 GLU C 333 17.663 -16.871 -14.471 1.00 0.00 O ATOM 88 OE2 GLU C 333 16.799 -17.651 -16.283 1.00 0.00 O ATOM 0 H GLU C 333 14.983 -13.452 -15.158 1.00 0.00 H new ATOM 0 HA GLU C 333 13.485 -15.199 -13.599 1.00 0.00 H new ATOM 0 HB2 GLU C 333 16.476 -14.653 -13.876 1.00 0.00 H new ATOM 0 HB3 GLU C 333 15.870 -15.963 -12.882 1.00 0.00 H new ATOM 0 HG2 GLU C 333 14.636 -16.896 -14.848 1.00 0.00 H new ATOM 0 HG3 GLU C 333 15.210 -15.575 -15.845 1.00 0.00 H new ATOM 95 N LEU C 334 15.119 -12.936 -11.850 1.00 0.00 N ATOM 96 CA LEU C 334 15.191 -12.326 -10.529 1.00 0.00 C ATOM 97 C LEU C 334 13.836 -11.768 -10.119 1.00 0.00 C ATOM 98 O LEU C 334 13.414 -11.916 -8.973 1.00 0.00 O ATOM 99 CB LEU C 334 16.236 -11.206 -10.524 1.00 0.00 C ATOM 100 CG LEU C 334 16.244 -10.486 -9.164 1.00 0.00 C ATOM 101 CD1 LEU C 334 16.468 -11.498 -8.029 1.00 0.00 C ATOM 102 CD2 LEU C 334 17.372 -9.449 -9.156 1.00 0.00 C ATOM 0 H LEU C 334 15.692 -12.484 -12.563 1.00 0.00 H new ATOM 0 HA LEU C 334 15.482 -13.094 -9.812 1.00 0.00 H new ATOM 0 HB2 LEU C 334 17.223 -11.620 -10.729 1.00 0.00 H new ATOM 0 HB3 LEU C 334 16.018 -10.493 -11.319 1.00 0.00 H new ATOM 0 HG LEU C 334 15.284 -9.994 -9.011 1.00 0.00 H new ATOM 0 HD11 LEU C 334 16.472 -10.976 -7.072 1.00 0.00 H new ATOM 0 HD12 LEU C 334 15.666 -12.237 -8.037 1.00 0.00 H new ATOM 0 HD13 LEU C 334 17.425 -12.000 -8.172 1.00 0.00 H new ATOM 0 HD21 LEU C 334 17.385 -8.933 -8.196 1.00 0.00 H new ATOM 0 HD22 LEU C 334 18.328 -9.950 -9.313 1.00 0.00 H new ATOM 0 HD23 LEU C 334 17.207 -8.725 -9.954 1.00 0.00 H new ATOM 114 N ALA C 335 13.162 -11.114 -11.057 1.00 0.00 N ATOM 115 CA ALA C 335 11.860 -10.527 -10.771 1.00 0.00 C ATOM 116 C ALA C 335 10.882 -11.592 -10.297 1.00 0.00 C ATOM 117 O ALA C 335 10.188 -11.411 -9.295 1.00 0.00 O ATOM 118 CB ALA C 335 11.314 -9.839 -12.025 1.00 0.00 C ATOM 0 H ALA C 335 13.491 -10.978 -12.013 1.00 0.00 H new ATOM 0 HA ALA C 335 11.979 -9.790 -9.977 1.00 0.00 H new ATOM 0 HB1 ALA C 335 10.340 -9.402 -11.805 1.00 0.00 H new ATOM 0 HB2 ALA C 335 12.002 -9.054 -12.338 1.00 0.00 H new ATOM 0 HB3 ALA C 335 11.211 -10.571 -12.826 1.00 0.00 H new ATOM 124 N VAL C 336 10.834 -12.702 -11.020 1.00 0.00 N ATOM 125 CA VAL C 336 9.937 -13.791 -10.666 1.00 0.00 C ATOM 126 C VAL C 336 10.302 -14.358 -9.300 1.00 0.00 C ATOM 127 O VAL C 336 9.432 -14.610 -8.467 1.00 0.00 O ATOM 128 CB VAL C 336 10.018 -14.895 -11.722 1.00 0.00 C ATOM 129 CG1 VAL C 336 9.149 -16.078 -11.293 1.00 0.00 C ATOM 130 CG2 VAL C 336 9.519 -14.354 -13.064 1.00 0.00 C ATOM 0 H VAL C 336 11.402 -12.871 -11.850 1.00 0.00 H new ATOM 0 HA VAL C 336 8.919 -13.404 -10.625 1.00 0.00 H new ATOM 0 HB VAL C 336 11.052 -15.224 -11.825 1.00 0.00 H new ATOM 0 HG11 VAL C 336 9.207 -16.864 -12.046 1.00 0.00 H new ATOM 0 HG12 VAL C 336 9.505 -16.463 -10.338 1.00 0.00 H new ATOM 0 HG13 VAL C 336 8.114 -15.751 -11.189 1.00 0.00 H new ATOM 0 HG21 VAL C 336 9.576 -15.140 -13.817 1.00 0.00 H new ATOM 0 HG22 VAL C 336 8.485 -14.024 -12.962 1.00 0.00 H new ATOM 0 HG23 VAL C 336 10.140 -13.512 -13.370 1.00 0.00 H new ATOM 140 N ASN C 337 11.597 -14.559 -9.077 1.00 0.00 N ATOM 141 CA ASN C 337 12.067 -15.102 -7.807 1.00 0.00 C ATOM 142 C ASN C 337 11.939 -14.062 -6.700 1.00 0.00 C ATOM 143 O ASN C 337 12.036 -14.389 -5.517 1.00 0.00 O ATOM 144 CB ASN C 337 13.529 -15.540 -7.933 1.00 0.00 C ATOM 145 CG ASN C 337 13.920 -16.393 -6.731 1.00 0.00 C ATOM 146 OD1 ASN C 337 13.106 -17.162 -6.224 1.00 0.00 O ATOM 147 ND2 ASN C 337 15.126 -16.301 -6.243 1.00 0.00 N ATOM 0 H ASN C 337 12.334 -14.356 -9.752 1.00 0.00 H new ATOM 0 HA ASN C 337 11.451 -15.965 -7.553 1.00 0.00 H new ATOM 0 HB2 ASN C 337 13.670 -16.107 -8.853 1.00 0.00 H new ATOM 0 HB3 ASN C 337 14.176 -14.665 -7.995 1.00 0.00 H new ATOM 0 HD21 ASN C 337 15.395 -16.868 -5.439 1.00 0.00 H new ATOM 0 HD22 ASN C 337 15.800 -15.662 -6.665 1.00 0.00 H new ATOM 154 N ASN C 338 11.723 -12.806 -7.094 1.00 0.00 N ATOM 155 CA ASN C 338 11.585 -11.714 -6.129 1.00 0.00 C ATOM 156 C ASN C 338 10.445 -10.784 -6.533 1.00 0.00 C ATOM 157 O ASN C 338 10.646 -9.584 -6.727 1.00 0.00 O ATOM 158 CB ASN C 338 12.890 -10.918 -6.056 1.00 0.00 C ATOM 159 CG ASN C 338 12.817 -9.902 -4.921 1.00 0.00 C ATOM 160 OD1 ASN C 338 11.727 -9.573 -4.452 1.00 0.00 O ATOM 161 ND2 ASN C 338 13.917 -9.386 -4.449 1.00 0.00 N ATOM 0 H ASN C 338 11.640 -12.520 -8.070 1.00 0.00 H new ATOM 0 HA ASN C 338 11.362 -12.142 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN C 338 13.730 -11.594 -5.897 1.00 0.00 H new ATOM 0 HB3 ASN C 338 13.067 -10.407 -7.002 1.00 0.00 H new ATOM 0 HD21 ASN C 338 13.877 -8.707 -3.689 1.00 0.00 H new ATOM 0 HD22 ASN C 338 14.818 -9.661 -4.840 1.00 0.00 H new ATOM 168 N ASP C 339 9.244 -11.347 -6.652 1.00 0.00 N ATOM 169 CA ASP C 339 8.069 -10.562 -7.025 1.00 0.00 C ATOM 170 C ASP C 339 7.459 -9.910 -5.790 1.00 0.00 C ATOM 171 O ASP C 339 6.552 -10.463 -5.169 1.00 0.00 O ATOM 172 CB ASP C 339 7.030 -11.465 -7.691 1.00 0.00 C ATOM 173 CG ASP C 339 6.721 -12.657 -6.791 1.00 0.00 C ATOM 174 OD1 ASP C 339 7.404 -12.812 -5.791 1.00 0.00 O ATOM 175 OD2 ASP C 339 5.804 -13.396 -7.111 1.00 0.00 O ATOM 0 H ASP C 339 9.059 -12.338 -6.497 1.00 0.00 H new ATOM 0 HA ASP C 339 8.375 -9.785 -7.725 1.00 0.00 H new ATOM 0 HB2 ASP C 339 6.118 -10.901 -7.887 1.00 0.00 H new ATOM 0 HB3 ASP C 339 7.403 -11.813 -8.654 1.00 0.00 H new ATOM 180 N ASP C 340 7.969 -8.731 -5.441 1.00 0.00 N ATOM 181 CA ASP C 340 7.476 -8.004 -4.275 1.00 0.00 C ATOM 182 C ASP C 340 8.149 -6.639 -4.179 1.00 0.00 C ATOM 183 O ASP C 340 9.378 -6.543 -4.186 1.00 0.00 O ATOM 184 CB ASP C 340 7.757 -8.801 -2.997 1.00 0.00 C ATOM 185 CG ASP C 340 7.222 -8.047 -1.785 1.00 0.00 C ATOM 186 OD1 ASP C 340 6.785 -6.920 -1.957 1.00 0.00 O ATOM 187 OD2 ASP C 340 7.259 -8.605 -0.700 1.00 0.00 O ATOM 0 H ASP C 340 8.720 -8.261 -5.947 1.00 0.00 H new ATOM 0 HA ASP C 340 6.400 -7.866 -4.385 1.00 0.00 H new ATOM 0 HB2 ASP C 340 7.289 -9.783 -3.061 1.00 0.00 H new ATOM 0 HB3 ASP C 340 8.829 -8.965 -2.889 1.00 0.00 H new ATOM 192 N CYS C 341 7.339 -5.588 -4.085 1.00 0.00 N ATOM 193 CA CYS C 341 7.861 -4.224 -3.986 1.00 0.00 C ATOM 194 C CYS C 341 7.747 -3.702 -2.556 1.00 0.00 C ATOM 195 O CYS C 341 6.734 -3.898 -1.890 1.00 0.00 O ATOM 196 CB CYS C 341 7.085 -3.301 -4.935 1.00 0.00 C ATOM 197 SG CYS C 341 8.127 -1.893 -5.396 1.00 0.00 S ATOM 0 H CYS C 341 6.321 -5.652 -4.075 1.00 0.00 H new ATOM 0 HA CYS C 341 8.914 -4.237 -4.268 1.00 0.00 H new ATOM 0 HB2 CYS C 341 6.782 -3.850 -5.827 1.00 0.00 H new ATOM 0 HB3 CYS C 341 6.173 -2.949 -4.452 1.00 0.00 H new ATOM 202 N ALA C 342 8.796 -3.044 -2.083 1.00 0.00 N ATOM 203 CA ALA C 342 8.787 -2.496 -0.730 1.00 0.00 C ATOM 204 C ALA C 342 8.325 -1.041 -0.759 1.00 0.00 C ATOM 205 O ALA C 342 7.956 -0.476 0.269 1.00 0.00 O ATOM 206 CB ALA C 342 10.186 -2.584 -0.121 1.00 0.00 C ATOM 0 H ALA C 342 9.655 -2.877 -2.607 1.00 0.00 H new ATOM 0 HA ALA C 342 8.096 -3.077 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA C 342 10.170 -2.173 0.888 1.00 0.00 H new ATOM 0 HB2 ALA C 342 10.501 -3.627 -0.083 1.00 0.00 H new ATOM 0 HB3 ALA C 342 10.886 -2.015 -0.733 1.00 0.00 H new ATOM 212 N ILE C 343 8.355 -0.442 -1.953 1.00 0.00 N ATOM 213 CA ILE C 343 7.946 0.952 -2.122 1.00 0.00 C ATOM 214 C ILE C 343 6.469 1.063 -2.498 1.00 0.00 C ATOM 215 O ILE C 343 5.651 1.532 -1.704 1.00 0.00 O ATOM 216 CB ILE C 343 8.793 1.611 -3.210 1.00 0.00 C ATOM 217 CG1 ILE C 343 10.257 1.609 -2.770 1.00 0.00 C ATOM 218 CG2 ILE C 343 8.326 3.052 -3.411 1.00 0.00 C ATOM 219 CD1 ILE C 343 11.144 2.002 -3.951 1.00 0.00 C ATOM 0 H ILE C 343 8.657 -0.900 -2.813 1.00 0.00 H new ATOM 0 HA ILE C 343 8.096 1.460 -1.169 1.00 0.00 H new ATOM 0 HB ILE C 343 8.688 1.061 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE C 343 10.401 2.307 -1.945 1.00 0.00 H new ATOM 0 HG13 ILE C 343 10.537 0.621 -2.404 1.00 0.00 H new ATOM 0 HG21 ILE C 343 8.928 3.525 -4.187 1.00 0.00 H new ATOM 0 HG22 ILE C 343 7.278 3.056 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE C 343 8.438 3.604 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE C 343 12.188 2.001 -3.638 1.00 0.00 H new ATOM 0 HD12 ILE C 343 11.008 1.287 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE C 343 10.870 2.999 -4.296 1.00 0.00 H new ATOM 231 N CYS C 344 6.136 0.648 -3.721 1.00 0.00 N ATOM 232 CA CYS C 344 4.760 0.723 -4.209 1.00 0.00 C ATOM 233 C CYS C 344 3.957 -0.503 -3.789 1.00 0.00 C ATOM 234 O CYS C 344 2.735 -0.531 -3.932 1.00 0.00 O ATOM 235 CB CYS C 344 4.765 0.824 -5.736 1.00 0.00 C ATOM 236 SG CYS C 344 5.231 -0.781 -6.443 1.00 0.00 S ATOM 0 H CYS C 344 6.800 0.257 -4.390 1.00 0.00 H new ATOM 0 HA CYS C 344 4.292 1.606 -3.774 1.00 0.00 H new ATOM 0 HB2 CYS C 344 3.779 1.120 -6.095 1.00 0.00 H new ATOM 0 HB3 CYS C 344 5.466 1.594 -6.059 1.00 0.00 H new ATOM 241 N TRP C 345 4.644 -1.519 -3.281 1.00 0.00 N ATOM 242 CA TRP C 345 3.966 -2.742 -2.855 1.00 0.00 C ATOM 243 C TRP C 345 2.933 -3.172 -3.889 1.00 0.00 C ATOM 244 O TRP C 345 1.729 -3.010 -3.688 1.00 0.00 O ATOM 245 CB TRP C 345 3.282 -2.513 -1.507 1.00 0.00 C ATOM 246 CG TRP C 345 4.319 -2.318 -0.448 1.00 0.00 C ATOM 247 CD1 TRP C 345 4.795 -1.117 -0.040 1.00 0.00 C ATOM 248 CD2 TRP C 345 5.010 -3.323 0.351 1.00 0.00 C ATOM 249 NE1 TRP C 345 5.734 -1.324 0.954 1.00 0.00 N ATOM 250 CE2 TRP C 345 5.900 -2.666 1.231 1.00 0.00 C ATOM 251 CE3 TRP C 345 4.950 -4.728 0.396 1.00 0.00 C ATOM 252 CZ2 TRP C 345 6.704 -3.376 2.125 1.00 0.00 C ATOM 253 CZ3 TRP C 345 5.757 -5.446 1.294 1.00 0.00 C ATOM 254 CH2 TRP C 345 6.632 -4.771 2.156 1.00 0.00 C ATOM 0 H TRP C 345 5.656 -1.524 -3.154 1.00 0.00 H new ATOM 0 HA TRP C 345 4.709 -3.533 -2.756 1.00 0.00 H new ATOM 0 HB2 TRP C 345 2.633 -1.639 -1.560 1.00 0.00 H new ATOM 0 HB3 TRP C 345 2.649 -3.365 -1.259 1.00 0.00 H new ATOM 0 HD1 TRP C 345 4.491 -0.156 -0.427 1.00 0.00 H new ATOM 0 HE1 TRP C 345 6.242 -0.576 1.425 1.00 0.00 H new ATOM 0 HE3 TRP C 345 4.279 -5.258 -0.264 1.00 0.00 H new ATOM 0 HZ2 TRP C 345 7.376 -2.851 2.787 1.00 0.00 H new ATOM 0 HZ3 TRP C 345 5.703 -6.524 1.320 1.00 0.00 H new ATOM 0 HH2 TRP C 345 7.250 -5.329 2.844 1.00 0.00 H new ATOM 265 N ASP C 346 3.417 -3.725 -5.000 1.00 0.00 N ATOM 266 CA ASP C 346 2.538 -4.184 -6.075 1.00 0.00 C ATOM 267 C ASP C 346 3.026 -5.516 -6.642 1.00 0.00 C ATOM 268 O ASP C 346 2.227 -6.411 -6.908 1.00 0.00 O ATOM 269 CB ASP C 346 2.492 -3.138 -7.188 1.00 0.00 C ATOM 270 CG ASP C 346 1.701 -1.921 -6.724 1.00 0.00 C ATOM 271 OD1 ASP C 346 1.010 -2.033 -5.725 1.00 0.00 O ATOM 272 OD2 ASP C 346 1.796 -0.893 -7.373 1.00 0.00 O ATOM 0 H ASP C 346 4.411 -3.866 -5.179 1.00 0.00 H new ATOM 0 HA ASP C 346 1.538 -4.326 -5.666 1.00 0.00 H new ATOM 0 HB2 ASP C 346 3.504 -2.842 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP C 346 2.032 -3.563 -8.080 1.00 0.00 H new ATOM 277 N SER C 347 4.341 -5.640 -6.826 1.00 0.00 N ATOM 278 CA SER C 347 4.917 -6.869 -7.369 1.00 0.00 C ATOM 279 C SER C 347 4.624 -6.985 -8.865 1.00 0.00 C ATOM 280 O SER C 347 3.584 -7.510 -9.264 1.00 0.00 O ATOM 281 CB SER C 347 4.346 -8.090 -6.627 1.00 0.00 C ATOM 282 OG SER C 347 4.094 -7.738 -5.274 1.00 0.00 O ATOM 0 H SER C 347 5.021 -4.911 -6.609 1.00 0.00 H new ATOM 0 HA SER C 347 5.997 -6.837 -7.228 1.00 0.00 H new ATOM 0 HB2 SER C 347 3.426 -8.424 -7.106 1.00 0.00 H new ATOM 0 HB3 SER C 347 5.050 -8.921 -6.674 1.00 0.00 H new ATOM 0 HG SER C 347 3.728 -8.512 -4.797 1.00 0.00 H new ATOM 288 N MET C 348 5.546 -6.486 -9.693 1.00 0.00 N ATOM 289 CA MET C 348 5.378 -6.532 -11.149 1.00 0.00 C ATOM 290 C MET C 348 6.586 -7.201 -11.795 1.00 0.00 C ATOM 291 O MET C 348 7.393 -7.835 -11.115 1.00 0.00 O ATOM 292 CB MET C 348 5.228 -5.117 -11.705 1.00 0.00 C ATOM 293 CG MET C 348 4.063 -4.421 -11.000 1.00 0.00 C ATOM 294 SD MET C 348 3.806 -2.775 -11.716 1.00 0.00 S ATOM 295 CE MET C 348 5.242 -1.951 -10.978 1.00 0.00 C ATOM 0 H MET C 348 6.413 -6.047 -9.382 1.00 0.00 H new ATOM 0 HA MET C 348 4.481 -7.108 -11.377 1.00 0.00 H new ATOM 0 HB2 MET C 348 6.149 -4.554 -11.553 1.00 0.00 H new ATOM 0 HB3 MET C 348 5.049 -5.153 -12.780 1.00 0.00 H new ATOM 0 HG2 MET C 348 3.156 -5.017 -11.101 1.00 0.00 H new ATOM 0 HG3 MET C 348 4.270 -4.335 -9.933 1.00 0.00 H new ATOM 0 HE1 MET C 348 5.201 -0.884 -11.196 1.00 0.00 H new ATOM 0 HE2 MET C 348 5.233 -2.102 -9.898 1.00 0.00 H new ATOM 0 HE3 MET C 348 6.157 -2.371 -11.395 1.00 0.00 H new ATOM 305 N GLN C 349 6.703 -7.058 -13.109 1.00 0.00 N ATOM 306 CA GLN C 349 7.815 -7.656 -13.832 1.00 0.00 C ATOM 307 C GLN C 349 9.084 -6.825 -13.670 1.00 0.00 C ATOM 308 O GLN C 349 10.125 -7.337 -13.259 1.00 0.00 O ATOM 309 CB GLN C 349 7.460 -7.758 -15.312 1.00 0.00 C ATOM 310 CG GLN C 349 8.463 -8.668 -16.018 1.00 0.00 C ATOM 311 CD GLN C 349 8.275 -10.113 -15.565 1.00 0.00 C ATOM 312 OE1 GLN C 349 9.119 -10.964 -15.846 1.00 0.00 O ATOM 313 NE2 GLN C 349 7.216 -10.446 -14.876 1.00 0.00 N ATOM 0 H GLN C 349 6.047 -6.537 -13.691 1.00 0.00 H new ATOM 0 HA GLN C 349 7.999 -8.649 -13.422 1.00 0.00 H new ATOM 0 HB2 GLN C 349 6.451 -8.153 -15.428 1.00 0.00 H new ATOM 0 HB3 GLN C 349 7.469 -6.768 -15.768 1.00 0.00 H new ATOM 0 HG2 GLN C 349 8.331 -8.598 -17.098 1.00 0.00 H new ATOM 0 HG3 GLN C 349 9.479 -8.340 -15.799 1.00 0.00 H new ATOM 0 HE21 GLN C 349 6.517 -9.741 -14.643 1.00 0.00 H new ATOM 0 HE22 GLN C 349 7.089 -11.411 -14.571 1.00 0.00 H new ATOM 322 N ALA C 350 8.995 -5.543 -14.008 1.00 0.00 N ATOM 323 CA ALA C 350 10.148 -4.658 -13.906 1.00 0.00 C ATOM 324 C ALA C 350 10.789 -4.778 -12.526 1.00 0.00 C ATOM 325 O ALA C 350 10.116 -4.639 -11.504 1.00 0.00 O ATOM 326 CB ALA C 350 9.719 -3.211 -14.154 1.00 0.00 C ATOM 0 H ALA C 350 8.144 -5.097 -14.352 1.00 0.00 H new ATOM 0 HA ALA C 350 10.879 -4.950 -14.660 1.00 0.00 H new ATOM 0 HB1 ALA C 350 10.587 -2.556 -14.076 1.00 0.00 H new ATOM 0 HB2 ALA C 350 9.288 -3.125 -15.151 1.00 0.00 H new ATOM 0 HB3 ALA C 350 8.976 -2.919 -13.412 1.00 0.00 H new ATOM 332 N ALA C 351 12.093 -5.049 -12.508 1.00 0.00 N ATOM 333 CA ALA C 351 12.826 -5.204 -11.254 1.00 0.00 C ATOM 334 C ALA C 351 14.269 -4.757 -11.433 1.00 0.00 C ATOM 335 O ALA C 351 15.026 -5.361 -12.187 1.00 0.00 O ATOM 336 CB ALA C 351 12.784 -6.668 -10.823 1.00 0.00 C ATOM 0 H ALA C 351 12.662 -5.165 -13.346 1.00 0.00 H new ATOM 0 HA ALA C 351 12.362 -4.585 -10.486 1.00 0.00 H new ATOM 0 HB1 ALA C 351 13.330 -6.788 -9.887 1.00 0.00 H new ATOM 0 HB2 ALA C 351 11.748 -6.976 -10.680 1.00 0.00 H new ATOM 0 HB3 ALA C 351 13.244 -7.287 -11.593 1.00 0.00 H new ATOM 342 N ARG C 352 14.634 -3.692 -10.728 1.00 0.00 N ATOM 343 CA ARG C 352 15.986 -3.148 -10.799 1.00 0.00 C ATOM 344 C ARG C 352 16.638 -3.232 -9.434 1.00 0.00 C ATOM 345 O ARG C 352 15.956 -3.206 -8.413 1.00 0.00 O ATOM 346 CB ARG C 352 15.936 -1.693 -11.280 1.00 0.00 C ATOM 347 CG ARG C 352 17.362 -1.198 -11.570 1.00 0.00 C ATOM 348 CD ARG C 352 17.324 -0.018 -12.544 1.00 0.00 C ATOM 349 NE ARG C 352 18.684 0.378 -12.893 1.00 0.00 N ATOM 350 CZ ARG C 352 19.447 1.046 -12.033 1.00 0.00 C ATOM 351 NH1 ARG C 352 18.989 1.339 -10.847 1.00 0.00 N ATOM 352 NH2 ARG C 352 20.656 1.398 -12.371 1.00 0.00 N ATOM 0 H ARG C 352 14.010 -3.186 -10.099 1.00 0.00 H new ATOM 0 HA ARG C 352 16.576 -3.729 -11.508 1.00 0.00 H new ATOM 0 HB2 ARG C 352 15.324 -1.617 -12.179 1.00 0.00 H new ATOM 0 HB3 ARG C 352 15.469 -1.064 -10.522 1.00 0.00 H new ATOM 0 HG2 ARG C 352 17.846 -0.897 -10.641 1.00 0.00 H new ATOM 0 HG3 ARG C 352 17.957 -2.008 -11.992 1.00 0.00 H new ATOM 0 HD2 ARG C 352 16.774 -0.294 -13.443 1.00 0.00 H new ATOM 0 HD3 ARG C 352 16.795 0.821 -12.092 1.00 0.00 H new ATOM 0 HE ARG C 352 19.056 0.138 -13.812 1.00 0.00 H new ATOM 0 HH11 ARG C 352 18.046 1.056 -10.580 1.00 0.00 H new ATOM 0 HH12 ARG C 352 19.574 1.851 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG C 352 21.017 1.161 -13.295 1.00 0.00 H new ATOM 0 HH22 ARG C 352 21.241 1.910 -11.711 1.00 0.00 H new ATOM 366 N LYS C 353 17.966 -3.337 -9.416 1.00 0.00 N ATOM 367 CA LYS C 353 18.708 -3.440 -8.163 1.00 0.00 C ATOM 368 C LYS C 353 19.477 -2.159 -7.878 1.00 0.00 C ATOM 369 O LYS C 353 20.143 -1.617 -8.760 1.00 0.00 O ATOM 370 CB LYS C 353 19.685 -4.615 -8.249 1.00 0.00 C ATOM 371 CG LYS C 353 20.421 -4.769 -6.918 1.00 0.00 C ATOM 372 CD LYS C 353 21.310 -6.014 -6.968 1.00 0.00 C ATOM 373 CE LYS C 353 22.020 -6.184 -5.625 1.00 0.00 C ATOM 374 NZ LYS C 353 22.970 -5.053 -5.422 1.00 0.00 N ATOM 0 H LYS C 353 18.548 -3.353 -10.254 1.00 0.00 H new ATOM 0 HA LYS C 353 17.999 -3.602 -7.351 1.00 0.00 H new ATOM 0 HB2 LYS C 353 19.146 -5.532 -8.486 1.00 0.00 H new ATOM 0 HB3 LYS C 353 20.400 -4.448 -9.054 1.00 0.00 H new ATOM 0 HG2 LYS C 353 21.026 -3.884 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS C 353 19.704 -4.853 -6.101 1.00 0.00 H new ATOM 0 HD2 LYS C 353 20.708 -6.896 -7.188 1.00 0.00 H new ATOM 0 HD3 LYS C 353 22.042 -5.920 -7.770 1.00 0.00 H new ATOM 0 HE2 LYS C 353 21.290 -6.210 -4.816 1.00 0.00 H new ATOM 0 HE3 LYS C 353 22.556 -7.133 -5.602 1.00 0.00 H new ATOM 0 HZ1 LYS C 353 23.671 -5.314 -4.699 1.00 0.00 H new ATOM 0 HZ2 LYS C 353 23.457 -4.844 -6.317 1.00 0.00 H new ATOM 0 HZ3 LYS C 353 22.446 -4.211 -5.108 1.00 0.00 H new ATOM 388 N LEU C 354 19.378 -1.678 -6.638 1.00 0.00 N ATOM 389 CA LEU C 354 20.065 -0.454 -6.238 1.00 0.00 C ATOM 390 C LEU C 354 21.504 -0.748 -5.821 1.00 0.00 C ATOM 391 O LEU C 354 21.816 -1.855 -5.383 1.00 0.00 O ATOM 392 CB LEU C 354 19.316 0.201 -5.057 1.00 0.00 C ATOM 393 CG LEU C 354 18.102 0.963 -5.573 1.00 0.00 C ATOM 394 CD1 LEU C 354 17.042 -0.043 -6.016 1.00 0.00 C ATOM 395 CD2 LEU C 354 17.540 1.844 -4.454 1.00 0.00 C ATOM 0 H LEU C 354 18.831 -2.117 -5.898 1.00 0.00 H new ATOM 0 HA LEU C 354 20.080 0.224 -7.091 1.00 0.00 H new ATOM 0 HB2 LEU C 354 19.002 -0.563 -4.346 1.00 0.00 H new ATOM 0 HB3 LEU C 354 19.982 0.879 -4.523 1.00 0.00 H new ATOM 0 HG LEU C 354 18.388 1.593 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU C 354 16.167 0.490 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU C 354 17.447 -0.673 -6.808 1.00 0.00 H new ATOM 0 HD13 LEU C 354 16.754 -0.665 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU C 354 16.671 2.390 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU C 354 17.245 1.218 -3.612 1.00 0.00 H new ATOM 0 HD23 LEU C 354 18.303 2.552 -4.130 1.00 0.00 H new ATOM 407 N PRO C 355 22.378 0.226 -5.936 1.00 0.00 N ATOM 408 CA PRO C 355 23.811 0.073 -5.543 1.00 0.00 C ATOM 409 C PRO C 355 23.962 -0.187 -4.041 1.00 0.00 C ATOM 410 O PRO C 355 25.000 -0.666 -3.582 1.00 0.00 O ATOM 411 CB PRO C 355 24.447 1.417 -5.953 1.00 0.00 C ATOM 412 CG PRO C 355 23.311 2.390 -6.002 1.00 0.00 C ATOM 413 CD PRO C 355 22.103 1.581 -6.457 1.00 0.00 C ATOM 0 HA PRO C 355 24.288 -0.782 -6.023 1.00 0.00 H new ATOM 0 HB2 PRO C 355 25.203 1.731 -5.233 1.00 0.00 H new ATOM 0 HB3 PRO C 355 24.941 1.340 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO C 355 23.137 2.840 -5.025 1.00 0.00 H new ATOM 0 HG3 PRO C 355 23.521 3.205 -6.695 1.00 0.00 H new ATOM 0 HD2 PRO C 355 21.175 1.985 -6.054 1.00 0.00 H new ATOM 0 HD3 PRO C 355 22.006 1.581 -7.543 1.00 0.00 H new ATOM 421 N CYS C 356 22.914 0.128 -3.282 1.00 0.00 N ATOM 422 CA CYS C 356 22.936 -0.076 -1.837 1.00 0.00 C ATOM 423 C CYS C 356 22.667 -1.545 -1.492 1.00 0.00 C ATOM 424 O CYS C 356 23.355 -2.129 -0.653 1.00 0.00 O ATOM 425 CB CYS C 356 21.887 0.838 -1.177 1.00 0.00 C ATOM 426 SG CYS C 356 21.436 0.207 0.461 1.00 0.00 S ATOM 0 H CYS C 356 22.045 0.523 -3.642 1.00 0.00 H new ATOM 0 HA CYS C 356 23.925 0.179 -1.456 1.00 0.00 H new ATOM 0 HB2 CYS C 356 22.283 1.850 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS C 356 21.000 0.897 -1.807 1.00 0.00 H new ATOM 431 N GLY C 357 21.660 -2.136 -2.139 1.00 0.00 N ATOM 432 CA GLY C 357 21.298 -3.537 -1.890 1.00 0.00 C ATOM 433 C GLY C 357 19.784 -3.681 -1.765 1.00 0.00 C ATOM 434 O GLY C 357 19.284 -4.294 -0.819 1.00 0.00 O ATOM 0 H GLY C 357 21.081 -1.670 -2.838 1.00 0.00 H new ATOM 0 HA2 GLY C 357 21.663 -4.164 -2.703 1.00 0.00 H new ATOM 0 HA3 GLY C 357 21.780 -3.887 -0.977 1.00 0.00 H new ATOM 438 N HIS C 358 19.057 -3.137 -2.738 1.00 0.00 N ATOM 439 CA HIS C 358 17.595 -3.213 -2.740 1.00 0.00 C ATOM 440 C HIS C 358 17.085 -3.469 -4.155 1.00 0.00 C ATOM 441 O HIS C 358 17.705 -3.044 -5.129 1.00 0.00 O ATOM 442 CB HIS C 358 17.014 -1.892 -2.199 1.00 0.00 C ATOM 443 CG HIS C 358 16.916 -1.956 -0.696 1.00 0.00 C ATOM 444 ND1 HIS C 358 17.646 -1.121 0.153 1.00 0.00 N ATOM 445 CD2 HIS C 358 16.184 -2.776 0.118 1.00 0.00 C ATOM 446 CE1 HIS C 358 17.329 -1.473 1.411 1.00 0.00 C ATOM 447 NE2 HIS C 358 16.444 -2.471 1.445 1.00 0.00 N ATOM 0 H HIS C 358 19.454 -2.639 -3.535 1.00 0.00 H new ATOM 0 HA HIS C 358 17.276 -4.036 -2.101 1.00 0.00 H new ATOM 0 HB2 HIS C 358 17.648 -1.056 -2.496 1.00 0.00 H new ATOM 0 HB3 HIS C 358 16.029 -1.714 -2.630 1.00 0.00 H new ATOM 0 HD2 HIS C 358 15.506 -3.545 -0.222 1.00 0.00 H new ATOM 0 HE1 HIS C 358 17.742 -1.003 2.291 1.00 0.00 H new ATOM 0 HE2 HIS C 358 16.044 -2.915 2.272 1.00 0.00 H new ATOM 455 N LEU C 359 15.948 -4.162 -4.267 1.00 0.00 N ATOM 456 CA LEU C 359 15.362 -4.464 -5.575 1.00 0.00 C ATOM 457 C LEU C 359 14.063 -3.689 -5.780 1.00 0.00 C ATOM 458 O LEU C 359 13.071 -3.972 -5.118 1.00 0.00 O ATOM 459 CB LEU C 359 15.048 -5.959 -5.657 1.00 0.00 C ATOM 460 CG LEU C 359 14.695 -6.341 -7.105 1.00 0.00 C ATOM 461 CD1 LEU C 359 15.968 -6.486 -7.951 1.00 0.00 C ATOM 462 CD2 LEU C 359 13.926 -7.665 -7.103 1.00 0.00 C ATOM 0 H LEU C 359 15.418 -4.522 -3.473 1.00 0.00 H new ATOM 0 HA LEU C 359 16.078 -4.177 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU C 359 15.906 -6.539 -5.318 1.00 0.00 H new ATOM 0 HB3 LEU C 359 14.217 -6.202 -4.995 1.00 0.00 H new ATOM 0 HG LEU C 359 14.079 -5.553 -7.539 1.00 0.00 H new ATOM 0 HD11 LEU C 359 15.698 -6.756 -8.972 1.00 0.00 H new ATOM 0 HD12 LEU C 359 16.510 -5.540 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU C 359 16.601 -7.264 -7.525 1.00 0.00 H new ATOM 0 HD21 LEU C 359 13.673 -7.940 -8.127 1.00 0.00 H new ATOM 0 HD22 LEU C 359 14.545 -8.445 -6.660 1.00 0.00 H new ATOM 0 HD23 LEU C 359 13.011 -7.554 -6.521 1.00 0.00 H new ATOM 474 N PHE C 360 14.086 -2.719 -6.704 1.00 0.00 N ATOM 475 CA PHE C 360 12.917 -1.874 -6.997 1.00 0.00 C ATOM 476 C PHE C 360 12.580 -1.934 -8.479 1.00 0.00 C ATOM 477 O PHE C 360 13.448 -2.102 -9.328 1.00 0.00 O ATOM 478 CB PHE C 360 13.270 -0.426 -6.608 1.00 0.00 C ATOM 479 CG PHE C 360 13.419 -0.260 -5.085 1.00 0.00 C ATOM 480 CD1 PHE C 360 13.000 -1.246 -4.160 1.00 0.00 C ATOM 481 CD2 PHE C 360 14.134 0.851 -4.598 1.00 0.00 C ATOM 482 CE1 PHE C 360 13.289 -1.105 -2.795 1.00 0.00 C ATOM 483 CE2 PHE C 360 14.399 0.989 -3.242 1.00 0.00 C ATOM 484 CZ PHE C 360 13.988 0.018 -2.345 1.00 0.00 C ATOM 0 H PHE C 360 14.908 -2.498 -7.266 1.00 0.00 H new ATOM 0 HA PHE C 360 12.053 -2.226 -6.434 1.00 0.00 H new ATOM 0 HB2 PHE C 360 14.200 -0.135 -7.097 1.00 0.00 H new ATOM 0 HB3 PHE C 360 12.494 0.247 -6.972 1.00 0.00 H new ATOM 0 HD1 PHE C 360 12.455 -2.111 -4.507 1.00 0.00 H new ATOM 0 HD2 PHE C 360 14.481 1.606 -5.288 1.00 0.00 H new ATOM 0 HE1 PHE C 360 12.972 -1.862 -2.093 1.00 0.00 H new ATOM 0 HE2 PHE C 360 14.929 1.859 -2.885 1.00 0.00 H new ATOM 0 HZ PHE C 360 14.208 0.129 -1.294 1.00 0.00 H new ATOM 494 N HIS C 361 11.302 -1.777 -8.768 1.00 0.00 N ATOM 495 CA HIS C 361 10.826 -1.811 -10.138 1.00 0.00 C ATOM 496 C HIS C 361 11.339 -0.600 -10.907 1.00 0.00 C ATOM 497 O HIS C 361 11.774 0.389 -10.318 1.00 0.00 O ATOM 498 CB HIS C 361 9.298 -1.834 -10.153 1.00 0.00 C ATOM 499 CG HIS C 361 8.809 -3.023 -9.372 1.00 0.00 C ATOM 500 ND1 HIS C 361 7.492 -3.137 -8.946 1.00 0.00 N ATOM 501 CD2 HIS C 361 9.436 -4.177 -8.967 1.00 0.00 C ATOM 502 CE1 HIS C 361 7.373 -4.326 -8.324 1.00 0.00 C ATOM 503 NE2 HIS C 361 8.528 -4.997 -8.305 1.00 0.00 N ATOM 0 H HIS C 361 10.573 -1.624 -8.071 1.00 0.00 H new ATOM 0 HA HIS C 361 11.202 -2.713 -10.621 1.00 0.00 H new ATOM 0 HB2 HIS C 361 8.905 -0.914 -9.720 1.00 0.00 H new ATOM 0 HB3 HIS C 361 8.934 -1.884 -11.179 1.00 0.00 H new ATOM 0 HD2 HIS C 361 10.476 -4.412 -9.137 1.00 0.00 H new ATOM 0 HE1 HIS C 361 6.454 -4.693 -7.892 1.00 0.00 H new ATOM 0 HE2 HIS C 361 8.706 -5.913 -7.894 1.00 0.00 H new ATOM 511 N ASN C 362 11.294 -0.692 -12.225 1.00 0.00 N ATOM 512 CA ASN C 362 11.765 0.393 -13.067 1.00 0.00 C ATOM 513 C ASN C 362 10.962 1.664 -12.809 1.00 0.00 C ATOM 514 O ASN C 362 11.524 2.752 -12.695 1.00 0.00 O ATOM 515 CB ASN C 362 11.636 -0.008 -14.536 1.00 0.00 C ATOM 516 CG ASN C 362 12.039 1.157 -15.431 1.00 0.00 C ATOM 517 OD1 ASN C 362 12.990 1.876 -15.127 1.00 0.00 O ATOM 518 ND2 ASN C 362 11.363 1.392 -16.522 1.00 0.00 N ATOM 0 H ASN C 362 10.938 -1.502 -12.733 1.00 0.00 H new ATOM 0 HA ASN C 362 12.810 0.590 -12.830 1.00 0.00 H new ATOM 0 HB2 ASN C 362 12.268 -0.872 -14.743 1.00 0.00 H new ATOM 0 HB3 ASN C 362 10.610 -0.305 -14.752 1.00 0.00 H new ATOM 0 HD21 ASN C 362 11.623 2.173 -17.125 1.00 0.00 H new ATOM 0 HD22 ASN C 362 10.575 0.795 -16.772 1.00 0.00 H new ATOM 525 N SER C 363 9.645 1.518 -12.713 1.00 0.00 N ATOM 526 CA SER C 363 8.780 2.662 -12.460 1.00 0.00 C ATOM 527 C SER C 363 8.914 3.141 -11.020 1.00 0.00 C ATOM 528 O SER C 363 8.882 4.337 -10.745 1.00 0.00 O ATOM 529 CB SER C 363 7.325 2.283 -12.750 1.00 0.00 C ATOM 530 OG SER C 363 7.123 2.251 -14.156 1.00 0.00 O ATOM 0 H SER C 363 9.157 0.627 -12.806 1.00 0.00 H new ATOM 0 HA SER C 363 9.084 3.475 -13.119 1.00 0.00 H new ATOM 0 HB2 SER C 363 7.096 1.310 -12.315 1.00 0.00 H new ATOM 0 HB3 SER C 363 6.650 3.004 -12.290 1.00 0.00 H new ATOM 0 HG SER C 363 6.193 2.007 -14.347 1.00 0.00 H new ATOM 536 N CYS C 364 9.062 2.194 -10.106 1.00 0.00 N ATOM 537 CA CYS C 364 9.191 2.533 -8.696 1.00 0.00 C ATOM 538 C CYS C 364 10.535 3.188 -8.411 1.00 0.00 C ATOM 539 O CYS C 364 10.606 4.217 -7.735 1.00 0.00 O ATOM 540 CB CYS C 364 9.052 1.276 -7.835 1.00 0.00 C ATOM 541 SG CYS C 364 7.404 0.564 -8.067 1.00 0.00 S ATOM 0 H CYS C 364 9.096 1.195 -10.311 1.00 0.00 H new ATOM 0 HA CYS C 364 8.397 3.238 -8.449 1.00 0.00 H new ATOM 0 HB2 CYS C 364 9.816 0.548 -8.109 1.00 0.00 H new ATOM 0 HB3 CYS C 364 9.209 1.523 -6.785 1.00 0.00 H new ATOM 546 N LEU C 365 11.604 2.585 -8.915 1.00 0.00 N ATOM 547 CA LEU C 365 12.934 3.127 -8.682 1.00 0.00 C ATOM 548 C LEU C 365 13.092 4.479 -9.379 1.00 0.00 C ATOM 549 O LEU C 365 13.455 5.471 -8.757 1.00 0.00 O ATOM 550 CB LEU C 365 13.991 2.136 -9.195 1.00 0.00 C ATOM 551 CG LEU C 365 15.294 2.297 -8.404 1.00 0.00 C ATOM 552 CD1 LEU C 365 16.338 1.323 -8.934 1.00 0.00 C ATOM 553 CD2 LEU C 365 15.814 3.725 -8.526 1.00 0.00 C ATOM 0 H LEU C 365 11.578 1.735 -9.478 1.00 0.00 H new ATOM 0 HA LEU C 365 13.073 3.277 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU C 365 13.621 1.115 -9.097 1.00 0.00 H new ATOM 0 HB3 LEU C 365 14.177 2.307 -10.255 1.00 0.00 H new ATOM 0 HG LEU C 365 15.098 2.083 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU C 365 17.264 1.439 -8.370 1.00 0.00 H new ATOM 0 HD12 LEU C 365 15.972 0.302 -8.824 1.00 0.00 H new ATOM 0 HD13 LEU C 365 16.527 1.530 -9.988 1.00 0.00 H new ATOM 0 HD21 LEU C 365 16.740 3.825 -7.959 1.00 0.00 H new ATOM 0 HD22 LEU C 365 16.004 3.955 -9.574 1.00 0.00 H new ATOM 0 HD23 LEU C 365 15.071 4.418 -8.132 1.00 0.00 H new ATOM 565 N ARG C 366 12.793 4.506 -10.671 1.00 0.00 N ATOM 566 CA ARG C 366 12.906 5.733 -11.449 1.00 0.00 C ATOM 567 C ARG C 366 12.121 6.845 -10.773 1.00 0.00 C ATOM 568 O ARG C 366 12.618 7.960 -10.618 1.00 0.00 O ATOM 569 CB ARG C 366 12.365 5.498 -12.863 1.00 0.00 C ATOM 570 CG ARG C 366 12.558 6.760 -13.709 1.00 0.00 C ATOM 571 CD ARG C 366 12.136 6.479 -15.154 1.00 0.00 C ATOM 572 NE ARG C 366 10.711 6.176 -15.219 1.00 0.00 N ATOM 573 CZ ARG C 366 10.148 5.754 -16.348 1.00 0.00 C ATOM 574 NH1 ARG C 366 10.875 5.608 -17.422 1.00 0.00 N ATOM 575 NH2 ARG C 366 8.871 5.488 -16.383 1.00 0.00 N ATOM 0 H ARG C 366 12.472 3.696 -11.201 1.00 0.00 H new ATOM 0 HA ARG C 366 13.954 6.025 -11.511 1.00 0.00 H new ATOM 0 HB2 ARG C 366 12.882 4.657 -13.325 1.00 0.00 H new ATOM 0 HB3 ARG C 366 11.308 5.237 -12.819 1.00 0.00 H new ATOM 0 HG2 ARG C 366 11.966 7.579 -13.299 1.00 0.00 H new ATOM 0 HG3 ARG C 366 13.601 7.074 -13.679 1.00 0.00 H new ATOM 0 HD2 ARG C 366 12.359 7.344 -15.779 1.00 0.00 H new ATOM 0 HD3 ARG C 366 12.710 5.642 -15.551 1.00 0.00 H new ATOM 0 HE ARG C 366 10.136 6.290 -14.384 1.00 0.00 H new ATOM 0 HH11 ARG C 366 11.873 5.817 -17.395 1.00 0.00 H new ATOM 0 HH12 ARG C 366 10.445 5.285 -18.289 1.00 0.00 H new ATOM 0 HH21 ARG C 366 8.303 5.604 -15.544 1.00 0.00 H new ATOM 0 HH22 ARG C 366 8.441 5.165 -17.250 1.00 0.00 H new ATOM 589 N SER C 367 10.901 6.535 -10.367 1.00 0.00 N ATOM 590 CA SER C 367 10.072 7.524 -9.701 1.00 0.00 C ATOM 591 C SER C 367 10.772 8.034 -8.449 1.00 0.00 C ATOM 592 O SER C 367 10.682 9.214 -8.109 1.00 0.00 O ATOM 593 CB SER C 367 8.727 6.909 -9.312 1.00 0.00 C ATOM 594 OG SER C 367 8.943 5.889 -8.348 1.00 0.00 O ATOM 0 H SER C 367 10.468 5.619 -10.485 1.00 0.00 H new ATOM 0 HA SER C 367 9.904 8.354 -10.387 1.00 0.00 H new ATOM 0 HB2 SER C 367 8.066 7.675 -8.907 1.00 0.00 H new ATOM 0 HB3 SER C 367 8.234 6.496 -10.192 1.00 0.00 H new ATOM 0 HG SER C 367 9.822 5.481 -8.495 1.00 0.00 H new ATOM 600 N TRP C 368 11.476 7.134 -7.767 1.00 0.00 N ATOM 601 CA TRP C 368 12.189 7.505 -6.550 1.00 0.00 C ATOM 602 C TRP C 368 13.315 8.487 -6.858 1.00 0.00 C ATOM 603 O TRP C 368 13.479 9.496 -6.172 1.00 0.00 O ATOM 604 CB TRP C 368 12.769 6.250 -5.878 1.00 0.00 C ATOM 605 CG TRP C 368 13.008 6.521 -4.425 1.00 0.00 C ATOM 606 CD1 TRP C 368 14.222 6.648 -3.842 1.00 0.00 C ATOM 607 CD2 TRP C 368 12.024 6.697 -3.366 1.00 0.00 C ATOM 608 NE1 TRP C 368 14.044 6.900 -2.493 1.00 0.00 N ATOM 609 CE2 TRP C 368 12.709 6.936 -2.152 1.00 0.00 C ATOM 610 CE3 TRP C 368 10.619 6.674 -3.344 1.00 0.00 C ATOM 611 CZ2 TRP C 368 12.023 7.144 -0.956 1.00 0.00 C ATOM 612 CZ3 TRP C 368 9.925 6.885 -2.142 1.00 0.00 C ATOM 613 CH2 TRP C 368 10.625 7.118 -0.950 1.00 0.00 C ATOM 0 H TRP C 368 11.567 6.154 -8.033 1.00 0.00 H new ATOM 0 HA TRP C 368 11.482 7.987 -5.874 1.00 0.00 H new ATOM 0 HB2 TRP C 368 12.081 5.413 -5.993 1.00 0.00 H new ATOM 0 HB3 TRP C 368 13.702 5.964 -6.363 1.00 0.00 H new ATOM 0 HD1 TRP C 368 15.174 6.566 -4.346 1.00 0.00 H new ATOM 0 HE1 TRP C 368 14.808 7.042 -1.832 1.00 0.00 H new ATOM 0 HE3 TRP C 368 10.070 6.493 -4.256 1.00 0.00 H new ATOM 0 HZ2 TRP C 368 12.568 7.324 -0.041 1.00 0.00 H new ATOM 0 HZ3 TRP C 368 8.845 6.868 -2.136 1.00 0.00 H new ATOM 0 HH2 TRP C 368 10.085 7.277 -0.028 1.00 0.00 H new ATOM 624 N LEU C 369 14.097 8.175 -7.885 1.00 0.00 N ATOM 625 CA LEU C 369 15.218 9.033 -8.265 1.00 0.00 C ATOM 626 C LEU C 369 14.709 10.397 -8.722 1.00 0.00 C ATOM 627 O LEU C 369 15.368 11.420 -8.525 1.00 0.00 O ATOM 628 CB LEU C 369 16.048 8.371 -9.375 1.00 0.00 C ATOM 629 CG LEU C 369 16.413 6.927 -8.987 1.00 0.00 C ATOM 630 CD1 LEU C 369 17.475 6.383 -9.943 1.00 0.00 C ATOM 631 CD2 LEU C 369 16.942 6.849 -7.545 1.00 0.00 C ATOM 0 H LEU C 369 13.980 7.344 -8.465 1.00 0.00 H new ATOM 0 HA LEU C 369 15.858 9.175 -7.394 1.00 0.00 H new ATOM 0 HB2 LEU C 369 15.485 8.372 -10.308 1.00 0.00 H new ATOM 0 HB3 LEU C 369 16.956 8.947 -9.551 1.00 0.00 H new ATOM 0 HG LEU C 369 15.506 6.326 -9.055 1.00 0.00 H new ATOM 0 HD11 LEU C 369 17.728 5.361 -9.662 1.00 0.00 H new ATOM 0 HD12 LEU C 369 17.087 6.394 -10.962 1.00 0.00 H new ATOM 0 HD13 LEU C 369 18.368 7.006 -9.888 1.00 0.00 H new ATOM 0 HD21 LEU C 369 17.190 5.815 -7.304 1.00 0.00 H new ATOM 0 HD22 LEU C 369 17.834 7.468 -7.451 1.00 0.00 H new ATOM 0 HD23 LEU C 369 16.177 7.208 -6.857 1.00 0.00 H new ATOM 643 N GLU C 370 13.528 10.406 -9.318 1.00 0.00 N ATOM 644 CA GLU C 370 12.939 11.650 -9.776 1.00 0.00 C ATOM 645 C GLU C 370 12.520 12.510 -8.583 1.00 0.00 C ATOM 646 O GLU C 370 12.615 13.735 -8.630 1.00 0.00 O ATOM 647 CB GLU C 370 11.728 11.350 -10.653 1.00 0.00 C ATOM 648 CG GLU C 370 11.239 12.635 -11.314 1.00 0.00 C ATOM 649 CD GLU C 370 12.253 13.105 -12.355 1.00 0.00 C ATOM 650 OE1 GLU C 370 13.176 12.357 -12.635 1.00 0.00 O ATOM 651 OE2 GLU C 370 12.091 14.204 -12.855 1.00 0.00 O ATOM 0 H GLU C 370 12.964 9.574 -9.494 1.00 0.00 H new ATOM 0 HA GLU C 370 13.679 12.200 -10.358 1.00 0.00 H new ATOM 0 HB2 GLU C 370 11.992 10.616 -11.414 1.00 0.00 H new ATOM 0 HB3 GLU C 370 10.931 10.913 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU C 370 10.272 12.465 -11.787 1.00 0.00 H new ATOM 0 HG3 GLU C 370 11.094 13.409 -10.560 1.00 0.00 H new ATOM 658 N GLN C 371 12.050 11.858 -7.521 1.00 0.00 N ATOM 659 CA GLN C 371 11.612 12.573 -6.321 1.00 0.00 C ATOM 660 C GLN C 371 12.771 12.770 -5.348 1.00 0.00 C ATOM 661 O GLN C 371 13.106 13.899 -4.986 1.00 0.00 O ATOM 662 CB GLN C 371 10.491 11.794 -5.628 1.00 0.00 C ATOM 663 CG GLN C 371 10.022 12.559 -4.387 1.00 0.00 C ATOM 664 CD GLN C 371 8.807 11.872 -3.775 1.00 0.00 C ATOM 665 OE1 GLN C 371 8.879 10.701 -3.399 1.00 0.00 O ATOM 666 NE2 GLN C 371 7.692 12.536 -3.646 1.00 0.00 N ATOM 0 H GLN C 371 11.963 10.843 -7.465 1.00 0.00 H new ATOM 0 HA GLN C 371 11.244 13.552 -6.626 1.00 0.00 H new ATOM 0 HB2 GLN C 371 9.657 11.650 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN C 371 10.845 10.803 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN C 371 10.828 12.609 -3.655 1.00 0.00 H new ATOM 0 HG3 GLN C 371 9.772 13.585 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN C 371 7.637 13.505 -3.959 1.00 0.00 H new ATOM 0 HE22 GLN C 371 6.875 12.086 -3.233 1.00 0.00 H new ATOM 675 N ASP C 372 13.375 11.659 -4.921 1.00 0.00 N ATOM 676 CA ASP C 372 14.495 11.708 -3.979 1.00 0.00 C ATOM 677 C ASP C 372 15.534 10.640 -4.317 1.00 0.00 C ATOM 678 O ASP C 372 15.194 9.485 -4.572 1.00 0.00 O ATOM 679 CB ASP C 372 13.986 11.476 -2.556 1.00 0.00 C ATOM 680 CG ASP C 372 15.057 11.878 -1.543 1.00 0.00 C ATOM 681 OD1 ASP C 372 15.926 12.655 -1.900 1.00 0.00 O ATOM 682 OD2 ASP C 372 14.990 11.399 -0.422 1.00 0.00 O ATOM 0 H ASP C 372 13.109 10.718 -5.211 1.00 0.00 H new ATOM 0 HA ASP C 372 14.960 12.691 -4.053 1.00 0.00 H new ATOM 0 HB2 ASP C 372 13.079 12.056 -2.387 1.00 0.00 H new ATOM 0 HB3 ASP C 372 13.723 10.427 -2.422 1.00 0.00 H new ATOM 687 N THR C 373 16.803 11.036 -4.296 1.00 0.00 N ATOM 688 CA THR C 373 17.902 10.118 -4.584 1.00 0.00 C ATOM 689 C THR C 373 18.514 9.613 -3.286 1.00 0.00 C ATOM 690 O THR C 373 19.631 9.986 -2.925 1.00 0.00 O ATOM 691 CB THR C 373 18.974 10.835 -5.410 1.00 0.00 C ATOM 692 OG1 THR C 373 19.255 12.098 -4.823 1.00 0.00 O ATOM 693 CG2 THR C 373 18.469 11.031 -6.840 1.00 0.00 C ATOM 0 H THR C 373 17.097 11.989 -4.082 1.00 0.00 H new ATOM 0 HA THR C 373 17.514 9.271 -5.150 1.00 0.00 H new ATOM 0 HB THR C 373 19.884 10.235 -5.429 1.00 0.00 H new ATOM 0 HG1 THR C 373 19.609 11.967 -3.918 1.00 0.00 H new ATOM 0 HG21 THR C 373 19.232 11.541 -7.428 1.00 0.00 H new ATOM 0 HG22 THR C 373 18.255 10.060 -7.287 1.00 0.00 H new ATOM 0 HG23 THR C 373 17.560 11.632 -6.826 1.00 0.00 H new ATOM 701 N SER C 374 17.783 8.747 -2.596 1.00 0.00 N ATOM 702 CA SER C 374 18.271 8.178 -1.342 1.00 0.00 C ATOM 703 C SER C 374 17.669 6.800 -1.117 1.00 0.00 C ATOM 704 O SER C 374 16.640 6.459 -1.692 1.00 0.00 O ATOM 705 CB SER C 374 17.914 9.094 -0.172 1.00 0.00 C ATOM 706 OG SER C 374 16.576 8.840 0.237 1.00 0.00 O ATOM 0 H SER C 374 16.858 8.424 -2.878 1.00 0.00 H new ATOM 0 HA SER C 374 19.355 8.085 -1.404 1.00 0.00 H new ATOM 0 HB2 SER C 374 18.598 8.924 0.659 1.00 0.00 H new ATOM 0 HB3 SER C 374 18.024 10.138 -0.467 1.00 0.00 H new ATOM 0 HG SER C 374 16.019 9.621 0.036 1.00 0.00 H new ATOM 712 N CYS C 375 18.322 6.004 -0.279 1.00 0.00 N ATOM 713 CA CYS C 375 17.842 4.661 0.002 1.00 0.00 C ATOM 714 C CYS C 375 16.610 4.698 0.930 1.00 0.00 C ATOM 715 O CYS C 375 16.721 5.115 2.076 1.00 0.00 O ATOM 716 CB CYS C 375 18.934 3.844 0.673 1.00 0.00 C ATOM 717 SG CYS C 375 18.331 2.157 0.909 1.00 0.00 S ATOM 0 H CYS C 375 19.177 6.264 0.213 1.00 0.00 H new ATOM 0 HA CYS C 375 17.563 4.203 -0.947 1.00 0.00 H new ATOM 0 HB2 CYS C 375 19.835 3.841 0.060 1.00 0.00 H new ATOM 0 HB3 CYS C 375 19.203 4.287 1.632 1.00 0.00 H new ATOM 722 N PRO C 376 15.446 4.264 0.484 1.00 0.00 N ATOM 723 CA PRO C 376 14.212 4.268 1.336 1.00 0.00 C ATOM 724 C PRO C 376 14.411 3.571 2.685 1.00 0.00 C ATOM 725 O PRO C 376 13.716 3.870 3.657 1.00 0.00 O ATOM 726 CB PRO C 376 13.179 3.496 0.491 1.00 0.00 C ATOM 727 CG PRO C 376 13.645 3.632 -0.919 1.00 0.00 C ATOM 728 CD PRO C 376 15.168 3.729 -0.859 1.00 0.00 C ATOM 0 HA PRO C 376 13.912 5.286 1.586 1.00 0.00 H new ATOM 0 HB2 PRO C 376 13.130 2.449 0.790 1.00 0.00 H new ATOM 0 HB3 PRO C 376 12.179 3.911 0.617 1.00 0.00 H new ATOM 0 HG2 PRO C 376 13.333 2.775 -1.516 1.00 0.00 H new ATOM 0 HG3 PRO C 376 13.217 4.519 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO C 376 15.635 2.755 -1.003 1.00 0.00 H new ATOM 0 HD3 PRO C 376 15.556 4.386 -1.637 1.00 0.00 H new ATOM 736 N THR C 377 15.353 2.630 2.733 1.00 0.00 N ATOM 737 CA THR C 377 15.627 1.878 3.958 1.00 0.00 C ATOM 738 C THR C 377 16.933 2.324 4.600 1.00 0.00 C ATOM 739 O THR C 377 16.947 2.786 5.742 1.00 0.00 O ATOM 740 CB THR C 377 15.706 0.385 3.631 1.00 0.00 C ATOM 741 OG1 THR C 377 14.445 -0.057 3.150 1.00 0.00 O ATOM 742 CG2 THR C 377 16.082 -0.401 4.890 1.00 0.00 C ATOM 0 H THR C 377 15.939 2.370 1.939 1.00 0.00 H new ATOM 0 HA THR C 377 14.817 2.067 4.663 1.00 0.00 H new ATOM 0 HB THR C 377 16.466 0.220 2.867 1.00 0.00 H new ATOM 0 HG1 THR C 377 14.492 -1.013 2.938 1.00 0.00 H new ATOM 0 HG21 THR C 377 16.137 -1.463 4.653 1.00 0.00 H new ATOM 0 HG22 THR C 377 17.050 -0.060 5.256 1.00 0.00 H new ATOM 0 HG23 THR C 377 15.326 -0.240 5.659 1.00 0.00 H new ATOM 750 N CYS C 378 18.027 2.170 3.873 1.00 0.00 N ATOM 751 CA CYS C 378 19.329 2.543 4.403 1.00 0.00 C ATOM 752 C CYS C 378 19.439 4.056 4.575 1.00 0.00 C ATOM 753 O CYS C 378 20.300 4.536 5.309 1.00 0.00 O ATOM 754 CB CYS C 378 20.442 2.038 3.488 1.00 0.00 C ATOM 755 SG CYS C 378 20.233 0.264 3.213 1.00 0.00 S ATOM 0 H CYS C 378 18.042 1.794 2.925 1.00 0.00 H new ATOM 0 HA CYS C 378 19.437 2.078 5.383 1.00 0.00 H new ATOM 0 HB2 CYS C 378 20.416 2.570 2.537 1.00 0.00 H new ATOM 0 HB3 CYS C 378 21.415 2.236 3.937 1.00 0.00 H new ATOM 760 N ARG C 379 18.573 4.802 3.890 1.00 0.00 N ATOM 761 CA ARG C 379 18.591 6.265 3.974 1.00 0.00 C ATOM 762 C ARG C 379 19.941 6.821 3.534 1.00 0.00 C ATOM 763 O ARG C 379 20.297 7.951 3.866 1.00 0.00 O ATOM 764 CB ARG C 379 18.282 6.716 5.403 1.00 0.00 C ATOM 765 CG ARG C 379 16.842 6.345 5.750 1.00 0.00 C ATOM 766 CD ARG C 379 16.576 6.682 7.215 1.00 0.00 C ATOM 767 NE ARG C 379 16.669 8.123 7.424 1.00 0.00 N ATOM 768 CZ ARG C 379 15.626 8.919 7.205 1.00 0.00 C ATOM 769 NH1 ARG C 379 14.497 8.412 6.792 1.00 0.00 N ATOM 770 NH2 ARG C 379 15.732 10.204 7.401 1.00 0.00 N ATOM 0 H ARG C 379 17.854 4.422 3.274 1.00 0.00 H new ATOM 0 HA ARG C 379 17.825 6.652 3.302 1.00 0.00 H new ATOM 0 HB2 ARG C 379 18.970 6.242 6.103 1.00 0.00 H new ATOM 0 HB3 ARG C 379 18.424 7.793 5.495 1.00 0.00 H new ATOM 0 HG2 ARG C 379 16.149 6.888 5.108 1.00 0.00 H new ATOM 0 HG3 ARG C 379 16.675 5.283 5.573 1.00 0.00 H new ATOM 0 HD2 ARG C 379 15.586 6.328 7.503 1.00 0.00 H new ATOM 0 HD3 ARG C 379 17.296 6.167 7.851 1.00 0.00 H new ATOM 0 HE ARG C 379 17.549 8.527 7.744 1.00 0.00 H new ATOM 0 HH11 ARG C 379 14.415 7.407 6.638 1.00 0.00 H new ATOM 0 HH12 ARG C 379 13.696 9.021 6.623 1.00 0.00 H new ATOM 0 HH21 ARG C 379 16.615 10.600 7.723 1.00 0.00 H new ATOM 0 HH22 ARG C 379 14.931 10.813 7.233 1.00 0.00 H new ATOM 784 N MET C 380 20.687 6.019 2.775 1.00 0.00 N ATOM 785 CA MET C 380 21.999 6.432 2.279 1.00 0.00 C ATOM 786 C MET C 380 21.926 6.789 0.796 1.00 0.00 C ATOM 787 O MET C 380 21.291 6.088 0.006 1.00 0.00 O ATOM 788 CB MET C 380 23.012 5.306 2.482 1.00 0.00 C ATOM 789 CG MET C 380 24.400 5.789 2.062 1.00 0.00 C ATOM 790 SD MET C 380 25.617 4.496 2.411 1.00 0.00 S ATOM 791 CE MET C 380 25.009 3.273 1.223 1.00 0.00 C ATOM 0 H MET C 380 20.406 5.081 2.491 1.00 0.00 H new ATOM 0 HA MET C 380 22.315 7.312 2.838 1.00 0.00 H new ATOM 0 HB2 MET C 380 23.024 4.997 3.527 1.00 0.00 H new ATOM 0 HB3 MET C 380 22.725 4.434 1.894 1.00 0.00 H new ATOM 0 HG2 MET C 380 24.406 6.033 1.000 1.00 0.00 H new ATOM 0 HG3 MET C 380 24.658 6.701 2.600 1.00 0.00 H new ATOM 0 HE1 MET C 380 25.854 2.768 0.756 1.00 0.00 H new ATOM 0 HE2 MET C 380 24.390 2.540 1.740 1.00 0.00 H new ATOM 0 HE3 MET C 380 24.416 3.773 0.457 1.00 0.00 H new ATOM 801 N SER C 381 22.588 7.880 0.428 1.00 0.00 N ATOM 802 CA SER C 381 22.604 8.322 -0.961 1.00 0.00 C ATOM 803 C SER C 381 23.289 7.281 -1.839 1.00 0.00 C ATOM 804 O SER C 381 24.213 6.597 -1.397 1.00 0.00 O ATOM 805 CB SER C 381 23.347 9.656 -1.076 1.00 0.00 C ATOM 806 OG SER C 381 24.741 9.406 -1.181 1.00 0.00 O ATOM 0 H SER C 381 23.118 8.472 1.068 1.00 0.00 H new ATOM 0 HA SER C 381 21.575 8.450 -1.297 1.00 0.00 H new ATOM 0 HB2 SER C 381 22.997 10.207 -1.949 1.00 0.00 H new ATOM 0 HB3 SER C 381 23.141 10.277 -0.204 1.00 0.00 H new ATOM 0 HG SER C 381 25.221 10.257 -1.257 1.00 0.00 H new ATOM 812 N LEU C 382 22.826 7.162 -3.081 1.00 0.00 N ATOM 813 CA LEU C 382 23.398 6.199 -4.017 1.00 0.00 C ATOM 814 C LEU C 382 24.591 6.815 -4.739 1.00 0.00 C ATOM 815 O LEU C 382 24.498 7.913 -5.289 1.00 0.00 O ATOM 816 CB LEU C 382 22.332 5.771 -5.046 1.00 0.00 C ATOM 817 CG LEU C 382 21.389 6.959 -5.364 1.00 0.00 C ATOM 818 CD1 LEU C 382 20.947 6.918 -6.833 1.00 0.00 C ATOM 819 CD2 LEU C 382 20.142 6.899 -4.476 1.00 0.00 C ATOM 0 H LEU C 382 22.060 7.718 -3.461 1.00 0.00 H new ATOM 0 HA LEU C 382 23.733 5.323 -3.461 1.00 0.00 H new ATOM 0 HB2 LEU C 382 22.816 5.426 -5.960 1.00 0.00 H new ATOM 0 HB3 LEU C 382 21.755 4.933 -4.655 1.00 0.00 H new ATOM 0 HG LEU C 382 21.936 7.882 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU C 382 20.285 7.760 -7.038 1.00 0.00 H new ATOM 0 HD12 LEU C 382 21.823 6.980 -7.478 1.00 0.00 H new ATOM 0 HD13 LEU C 382 20.418 5.985 -7.028 1.00 0.00 H new ATOM 0 HD21 LEU C 382 19.488 7.739 -4.710 1.00 0.00 H new ATOM 0 HD22 LEU C 382 19.611 5.965 -4.657 1.00 0.00 H new ATOM 0 HD23 LEU C 382 20.439 6.950 -3.428 1.00 0.00 H new ATOM 831 N ASN C 383 25.705 6.097 -4.739 1.00 0.00 N ATOM 832 CA ASN C 383 26.906 6.577 -5.405 1.00 0.00 C ATOM 833 C ASN C 383 26.754 6.466 -6.920 1.00 0.00 C ATOM 834 O ASN C 383 26.081 5.566 -7.421 1.00 0.00 O ATOM 835 CB ASN C 383 28.113 5.757 -4.949 1.00 0.00 C ATOM 836 CG ASN C 383 29.403 6.480 -5.316 1.00 0.00 C ATOM 837 OD1 ASN C 383 29.458 7.709 -5.281 1.00 0.00 O ATOM 838 ND2 ASN C 383 30.450 5.785 -5.670 1.00 0.00 N ATOM 0 H ASN C 383 25.802 5.187 -4.289 1.00 0.00 H new ATOM 0 HA ASN C 383 27.057 7.624 -5.142 1.00 0.00 H new ATOM 0 HB2 ASN C 383 28.069 5.599 -3.871 1.00 0.00 H new ATOM 0 HB3 ASN C 383 28.092 4.773 -5.417 1.00 0.00 H new ATOM 0 HD21 ASN C 383 31.317 6.260 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN C 383 30.401 4.767 -5.698 1.00 0.00 H new ATOM 845 N ILE C 384 27.382 7.390 -7.640 1.00 0.00 N ATOM 846 CA ILE C 384 27.314 7.392 -9.097 1.00 0.00 C ATOM 847 C ILE C 384 25.864 7.440 -9.567 1.00 0.00 C ATOM 848 O ILE C 384 25.648 7.730 -10.733 1.00 0.00 O ATOM 849 CB ILE C 384 27.994 6.136 -9.653 1.00 0.00 C ATOM 850 CG1 ILE C 384 29.479 6.157 -9.279 1.00 0.00 C ATOM 851 CG2 ILE C 384 27.854 6.107 -11.177 1.00 0.00 C ATOM 852 CD1 ILE C 384 30.096 4.788 -9.569 1.00 0.00 C ATOM 0 H ILE C 384 27.941 8.144 -7.241 1.00 0.00 H new ATOM 0 HA ILE C 384 27.831 8.278 -9.465 1.00 0.00 H new ATOM 0 HB ILE C 384 27.521 5.250 -9.230 1.00 0.00 H new ATOM 0 HG12 ILE C 384 29.997 6.929 -9.847 1.00 0.00 H new ATOM 0 HG13 ILE C 384 29.596 6.405 -8.224 1.00 0.00 H new ATOM 0 HG21 ILE C 384 28.338 5.213 -11.570 1.00 0.00 H new ATOM 0 HG22 ILE C 384 26.798 6.095 -11.445 1.00 0.00 H new ATOM 0 HG23 ILE C 384 28.326 6.992 -11.603 1.00 0.00 H new ATOM 0 HD11 ILE C 384 31.153 4.802 -9.303 1.00 0.00 H new ATOM 0 HD12 ILE C 384 29.584 4.026 -8.981 1.00 0.00 H new ATOM 0 HD13 ILE C 384 29.991 4.559 -10.630 1.00 0.00 H new TER 864 ILE C 384 HETATM 865 ZN ZN C 900 7.149 -1.700 -7.470 1.00 0.00 ZN HETATM 866 ZN ZN C 901 19.155 0.158 1.109 1.00 0.00 ZN